Glycoside
GD136669
Name:
6-methoxy-7,9,13-trimethyl-6-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-14,15,16,17,18-pentolFormula:
C33H56O13Smiles:
COC1(CCCCOC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCCCO)OC2CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 660.8 | Num_heavy_atoms: | 46 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD55251
Formula: C27H46O8
Smiles:
COC1(CCCCO)OC2CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.66 | Num_heavy_atoms: | 35 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
